2-ethoxy-1-morpholin-4-ylpropan-1-imine

C9H18N2O2 — CID 64532832

IUPAC2-ethoxy-1-morpholin-4-ylpropan-1-imine
SMILES[H]/N=C(\C(C)OCC)N1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-3-13-8(2)9(10)11-4-6-12-7-5-11/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyPGBCCBYVKCDGEP-MDZDMXLPSA-N
MW186.25 g/mol
LogP0.72
Rot. Bonds3

About 2-ethoxy-1-morpholin-4-ylpropan-1-imine

2-ethoxy-1-morpholin-4-ylpropan-1-imine (PubChem CID 64532832) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethoxy-1-morpholin-4-ylpropan-1-imine.

Molecular Properties

Compound Name2-ethoxy-1-morpholin-4-ylpropan-1-imine
PubChem CID64532832
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-ethoxy-1-morpholin-4-ylpropan-1-imine
SMILES[H]/N=C(\C(C)OCC)N1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-3-13-8(2)9(10)11-4-6-12-7-5-11/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyPGBCCBYVKCDGEP-MDZDMXLPSA-N
XLogP0.72
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-morpholin-4-ylpropan-1-imine?
The IUPAC name of 2-ethoxy-1-morpholin-4-ylpropan-1-imine (CID 64532832) is 2-ethoxy-1-morpholin-4-ylpropan-1-imine.
What is the SMILES notation for 2-ethoxy-1-morpholin-4-ylpropan-1-imine?
The canonical SMILES for 2-ethoxy-1-morpholin-4-ylpropan-1-imine is [H]/N=C(\C(C)OCC)N1CCOCC1.
What is the InChIKey of 2-ethoxy-1-morpholin-4-ylpropan-1-imine?
The InChIKey is PGBCCBYVKCDGEP-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-8(2)9(10)11-4-6-12-7-5-11/h8,10H,3-7H2,1-2H3/b10-9+.
What are the key properties of 2-ethoxy-1-morpholin-4-ylpropan-1-imine?
2-ethoxy-1-morpholin-4-ylpropan-1-imine has a molecular weight of 186.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-morpholin-4-ylpropan-1-imine is sourced from PubChem (CID 64532832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).